| CAS Number | 150412-80-9 |
| Catalog Number | AG001ML8(AGN-PC-0Q4P4I) |
| Chemical Name | β-D-Glucopyranoside, 4-methoxyphenyl 4-O-β-D-galactopyranosyl- |
| IUPAC Name | (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| InChI | InChI=1S/C19H28O12/c1-27-8-2-4-9(5-3-8)28-18-16(26)14(24)17(11(7-21)30-18)31-19-15(25)13(23)12(22)10(6-20)29-19/h2-5,10-26H,6-7H2,1H3/t10-,11-,12+,13+,14-,15-,16-,17-,18-,19+/m1/s1 |
| InChI Key | PJFQMORRZLJWQE-BAGUKLQFSA-N |
| MDL Number | MFCD11112178 |
| Molecular Formula | C19H28O12 |
| Molecular Weight | 448.4184 |
| SMILES | O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)OC1=CC=C(C=C1)OC)CO)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO |
| Synonyms | 150412-80-9,
4-Methoxyphenyl 4-O-(b-D-galactopyranosyl)-b-D-glucopyranoside,
4-Methoxyphenyl 4-O-(beta-D-Galactopyranosyl)-beta-D-glucopyranoside,
CTK8B4062,
DTXSID80466382,
ANW-43789,
ZINC34036174,
AKOS030549416,
RT-009750,
I07-406,
4-Methoxyphenyl 4-O-beta-D-galactopyranosyl-beta-D-glucopyranoside,
beta-D-Glucopyranoside, 4-methoxyphenyl 4-O-beta-D-galactopyranosyl-,
Gal beta(1-4)Glc-beta-MP,
PJFQMORRZLJWQE-BAGUKLQFSA-N,
CID 9933353,
CID11453677,
|
| Complexity | 544 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 10 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 448.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 7 |
| Isotope Atom Count | 0 |
| Molecular Weight | 448.421g/mol |
| Monoisotopic Mass | 448.158g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 188A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number